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DEHYDROPACHYMIC-ACID-PHTHALIMIDO-METHYLESTER
SpectraBase Compound ID 9obBwfhS78k
InChI InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29?,32-,33+,34+,35+,40-,41-,42+/m1/s1
InChIKey AEIODDCOGPFVEZ-BDFPKNQASA-N
Mol Weight 685.9 g/mol
Molecular Formula C42H55NO7
Exact Mass 685.397853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqNH5QW32ab
Name DEHYDROPACHYMIC-ACID-PHTHALIMIDO-METHYLESTER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H55NO7
InChI InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29?,32-,33+,34+,35+,40-,41-,42+/m1/s1
InChIKey AEIODDCOGPFVEZ-BDFPKNQASA-N
Literature Reference Author T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI
Literature Reference Citation PHYTOCHEM.,40,225(1995)
Literature Reference DOI 10.1016/0031-9422(95)00182-7
Molecular Weight 685.901 g/mol
Solvent CDCl3
Source File Reference UWVN3448